| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:06 UTC |
|---|
| Update Date | 2025-03-25 00:53:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201496 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO2S |
|---|
| Molecular Mass | 247.0667 |
|---|
| SMILES | Cc1c(SCC(=O)O)nc2ccccc2c1C |
|---|
| InChI Key | GSUZMBPFVBVTPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
